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2-(4-CHLOROPHENYL)-AMINO-3-ISOPROPYLPTERIDIN-4(3H)-ONE
SpectraBase Compound ID 5SNwO7s9RIB
InChI InChI=1S/C15H14ClN5O/c1-9(2)21-14(22)12-13(18-8-7-17-12)20-15(21)19-11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H,18,19,20)
InChIKey IXDJBCDJJVPLFM-UHFFFAOYSA-N
Mol Weight 315.76 g/mol
Molecular Formula C15H14ClN5O
Exact Mass 315.088688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94EBGtzf5Ur
Name 2-(4-Chloroanilino)-3-isopropyl-pteridin-4-one
Alternate Name(s) 2-(4-Chloroanilino)-3-propan-2-yl-4-pteridinone 2-(4-Chloroanilino)-3-propan-2-ylpteridin-4-one 2-[(4-chlorophenyl)amino]-3-propan-2-yl-pteridin-4-one
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Formula C15H14ClN5O
InChI InChI=1S/C15H14ClN5O/c1-9(2)21-14(22)12-13(18-8-7-17-12)20-15(21)19-11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H,18,19,20)
InChIKey IXDJBCDJJVPLFM-UHFFFAOYSA-N
Molecular Weight 315.764 g/mol
SMILES N(C=1N(C(=O)c2c(N1)nccn2)C(C)C)c1ccc(cc1)Cl
SPLASH splash10-00xr-0095000000-2593f80faca4718cb500
Source of Spectrum KC-0-2281-5
Wiley ID 825906